Information card for entry 7239445

Structure parameters

• Common name: Peptide
• Formula: C37 H61 N7 O9 S
• Calculated formula: C37 H61 N7 O9 S
• Title of publication: Probing the folding induction ability of orthanilic acid in peptides: some observations
• Authors of publication: Roy, Arup; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 13018
• a: 10.4234 ± 0.0002 Å
• b: 10.5165 ± 0.0002 Å
• c: 39.4004 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4318.98 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No